3-methyl-7-phenylmethoxychromen-2-one

C17H14O3 — CID 11843156

IUPAC3-methyl-7-phenylmethoxychromen-2-one
SMILESCc1cc2ccc(OCc3ccccc3)cc2oc1=O
InChIInChI=1S/C17H14O3/c1-12-9-14-7-8-15(10-16(14)20-17(12)18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLGBWZHFSNWQXQB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.68
Rot. Bonds3

About 3-methyl-7-phenylmethoxychromen-2-one

3-methyl-7-phenylmethoxychromen-2-one (PubChem CID 11843156) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name3-methyl-7-phenylmethoxychromen-2-one
PubChem CID11843156
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-methyl-7-phenylmethoxychromen-2-one
SMILESCc1cc2ccc(OCc3ccccc3)cc2oc1=O
InChIInChI=1S/C17H14O3/c1-12-9-14-7-8-15(10-16(14)20-17(12)18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLGBWZHFSNWQXQB-UHFFFAOYSA-N
XLogP3.68
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenylmethoxychromen-2-one?
The IUPAC name of 3-methyl-7-phenylmethoxychromen-2-one (CID 11843156) is 3-methyl-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 3-methyl-7-phenylmethoxychromen-2-one?
The canonical SMILES for 3-methyl-7-phenylmethoxychromen-2-one is Cc1cc2ccc(OCc3ccccc3)cc2oc1=O.
What is the InChIKey of 3-methyl-7-phenylmethoxychromen-2-one?
The InChIKey is LGBWZHFSNWQXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12-9-14-7-8-15(10-16(14)20-17(12)18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 3-methyl-7-phenylmethoxychromen-2-one?
3-methyl-7-phenylmethoxychromen-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 11843156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).